N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)isonipecotamide Formula: C26H28FN5O3S2 MolecularWeight: 541.660623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C26H28FN5O3S2/c1-18-16-19(2)24-23(17-18)36-26(29-24)32(15-14-30-11-3-10-28-30)25(33)20-8-12-31(13-9-20)37(34,35)22-6-4-21(27)5-7-22/h3-7,10-11,16-17,20H,8-9,12-15H2,1-2H3